Materials Graph Network

Materials Graph Networks for molecule and crystal structure-property relationship modeling

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Version 1.2.5 - published on 27 Jan 2021

doi:10.21981/WYQB-XD49 cite this

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Abstract

Materials Graph Network is a deep learning framework for modeling molecular and crystal properties using tensorflow.

Cite this work

Researchers should cite this work as follows:

  • Chi Chen, Saaketh Desai, Yunxing Zuo (2021), "Materials Graph Network," https://nanohub.org/resources/megnet. (DOI: 10.21981/WYQB-XD49).

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Tags

  1. crystal structures
  2. graph networks
  3. machine learning
  4. material discovery
  5. material properties
  6. materials science
  7. NCN Group - Machine Learning
  8. NCN Group - Machine Learning Hands-on
  9. tensorflow